Sugi Predict

Sugi Predict / Compounds / SCHEMBL26519

SCHEMBL26519

SCHEMBL26519

NCC1(CC(=O)O)C2CCC1CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ CACNA2D1 P54289 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 1/20 0.36
▸ HSD11B1 P28845 7/20 0.36
▸ CYP2D6 P10635 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GLRA1 P23415 1/20 0.33
▸ SLC6A9 P48067 1/20 0.33
▸ OR51E2 Q9H255 1/20 0.33
▸ PLG P00747 1/20 0.31
▸ PLAT P00750 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ GRM1 Q13255 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7861905 0.91 ALDH1A1 (0.44) CYP1A2LMNAALDH1A1USP2TSHR
SCHEMBL27727 0.91 CYP1A2 (0.44) CYP1A2LMNAALDH1A1USP2TSHR
SCHEMBL14459065 0.81 HSD11B1 (0.56) CYP1A2LMNAALDH1A1USP2TSHR
SCHEMBL7865257 0.81 HSD11B1 (0.56) CYP1A2LMNAALDH1A1USP2TSHR
SCHEMBL5441916 0.78 CYP1A2 (0.39) CYP1A2LMNAALDH1A1USP2TSHR
SCHEMBL5456118 0.78 CYP1A2 (0.39) CYP1A2LMNAALDH1A1USP2TSHR
SCHEMBL7403691 0.78 CYP1A2 (0.39) CYP1A2LMNAALDH1A1USP2TSHR
SCHEMBL5441518 0.78 CYP1A2 (0.39) CYP1A2LMNAALDH1A1USP2TSHR
SCHEMBL5443318 0.78 CYP1A2 (0.39) CYP1A2LMNAALDH1A1USP2TSHR
SCHEMBL5441921 0.78 CYP1A2 (0.39) CYP1A2LMNAALDH1A1USP2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 118 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4216713-B2 — — 2009-01-28 — — JP claimed
US-7423169-B2 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. (US) 2008-09-09 — — US claimed
WO-2008011016-A2 TREATING GASTROESOPHAGEAL REFLUX DISEASE WITH 5-HT3- AND GABA RECEPTOR AGONISTS DYNOGEN PHARMACEUTICALS, INC. (US) 2008-01-24 — — WO claimed
US-7232924-B2 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. (US) 2007-06-19 — — US claimed
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. 2006-12-21 — — US claimed
EP-1554237-A4 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS XENOPORT INC (US) 2006-11-02 — — EP claimed
CN-1675165-A Method for synthesizing acyloxyalkyl derivatives of GABA analogs XENOPORT INC (US) 2005-09-28 — — CN claimed
EP-1554237-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS Xenoport, Inc. (US) 2005-07-20 — — EP claimed
EP-1404324-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2004-12-22 — — EP claimed
JP-2004536873-A — — 2004-12-09 — — JP claimed
US-20040248979-A1 Method of treating lower urinary tract disorders DYNOGEN PHARMACEUTICALS, INC. 2004-12-09 — — US claimed
EP-1404324-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2004-04-07 — — EP claimed
US-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. 2004-01-22 — — US claimed
WO-2003104184-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS XENOPORT, INC. (US) 2003-12-18 — — WO claimed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 — — US claimed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 — — WO claimed
US-6020370-A ANTIEPILEPIC AGENT, BRAIN DISORDERS, NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, ANALGESICS WARNER-LAMBERT COMPANY (US) 2000-02-01 — — US claimed
US-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2016-03-31 — — US disclosed
WO-2001007037-A1 METHOD OF TREATING SYMPTOMS OF HORMONAL VARIATION, INCLUDING HOT FLASHES UNIVERSITY OF ROCHESTER (US) 2001-02-01 — — WO disclosed
US-6020370-A ANTIEPILEPIC AGENT, BRAIN DISORDERS, NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, ANALGESICS WARNER-LAMBERT COMPANY (US) 2000-02-01 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040248979-A1 Method of treating lower urinary tract disorders RYR2, CACNA1S, CACNA1D CYP1A2 2011/4885LMNA 2184/4885ALDH1A1 987/4885
US-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 CYP1A2 135/4885LMNA 3012/4885ALDH1A1 298/4885
US-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 CYP1A2 1323/4885LMNA 4143/4885ALDH1A1 495/4885
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 CYP1A2 1323/4885LMNA 4143/4885ALDH1A1 495/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 CYP1A2 135/4885LMNA 3012/4885ALDH1A1 298/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.